(Z)-3-[4-[5-ethanoyl-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-phenyl]-2-methyl-N-[4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]prop-2-enamide

Systemtic Name: (Z)-3-[4-[5-ethanoyl-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-phenyl]-2-methyl-N-[4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]prop-2-enamide Openeye Name: (Z)-3-[4-(5-acetyl-3,4-dihydroxy-tetrahydrofuran-2-yl)oxy-3-hydroxy-phenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (Z)-3-[4-[(5-acetyl-3,4-dihydroxy-2-oxolanyl)oxy]-3-hydroxyphenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (Z)-3-[4-(5-acetyl-3,4-dihydroxyoxolan-2-yl)oxy-3-hydroxyphenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (Z)-3-[4-(5-acetyl-3,4-dihydroxy-tetrahydrofuran-2-yl)oxy-3-hydroxy-phenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)acrylamide Formula: C46H58N2O24 MolecularWeight: 1022.95172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2C(C(C(O2)C(=O)C)O)O)O)C(=O)NC3C(C(C4C(C3O)OCO4)O)O.CC(=CC1=CC(=C(C=C1)OC2C(C(C(O2)C(=O)C)O)O)O)C(=O)NC3C(C(C4C(C3O)OCO4)O)O

Isomeric SMILES

C/C(=C/C1=CC(=C(C=C1)OC2OC(C(C2O)O)C(=O)C)O)/C(=O)NC3C(C4OCOC4C(C3O)O)O.C/C(=C/C1=CC(=C(C=C1)OC2OC(C(C2O)O)C(=O)C)O)/C(=O)NC3C(C4OCOC4C(C3O)O)O

InChI

InChI=1S/2C23H29NO12/c2*1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h2*3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b2*8-5-